by Nikolai V. Shokhirev
Prof. F. Ann Walker Research Group, Department of Chemistry, University of Arizona, Tucson, Arizona 85721, USA
1D NMR Basics
2D NMR Basics
1D NMR with Chemical Exchange
- Program "Bloch"
- Programs "TwoLines1D" and "TwoLineNMR"
- Program "TwoSiteExchange"
The program solves the Bloch Equations for magnetization:
All parameters have the conventional meaning.
The solution of this equation is:
It satisfies the following initial condition (t=0) :
The pulses rotate the magnetization vector around the x, y and z axes according to the following rotation matrices:
The program simulates two-line 1D NMR spectrum with chemical exchange for the case kAB = kBA = k, T2A = T2B = 1/r, .
The case of non-reacting systems:
The case of fast reaction:
Download here. The program TwoLineNMR is more suitable for actual fitting.
The program solves the following system of equations:
©Nikolai V. Shokhirev, F. Ann Walker, 2001-2007